SCHEMBL3575181

SCHEMBL3575181

Cc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 8/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPK1 P28482 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.59
MGLL Q99685 1/20 0.59
GBA1 P04062 1/20 0.57
CKS1B P61024 1/20 0.56
SKP1 P63208 1/20 0.56
SKP2 Q13309 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13115595 0.92 KDM4E (0.67) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL1108662 0.84 CYP1A2 (0.64) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3580034 0.84 KDM4E (0.92) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL26502464 0.82 PANK3 (0.69) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL8154101 0.82 SLC6A7 (1.00) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3578390 0.81 SLC6A7 (0.67) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL1108658 0.80 KDM4E (0.62) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL5237033 0.80 PANK3 (0.57) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL12082726 0.79 KDM4E (1.00) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3575539 0.79 SLC6A7 (1.00) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP claimed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO claimed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US claimed
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 EP disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT SLC6A7 1113/4885ALDH1A1 1258/4885MAPK1 4219/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 SLC6A7 1024/4885ALDH1A1 2105/4885MAPK1 1377/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885ALDH1A1 2253/4885MAPK1 3129/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885ALDH1A1 2944/4885MAPK1 2615/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885ALDH1A1 1258/4885MAPK1 4219/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.